SCHEMBL5579438

SCHEMBL5579438

CC(C)[C@H]1NC(=O)c2ccc(C(=O)O)cc2NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
THRB P10828 2/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
TTR P02766 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PABPC1 P11940 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPRC P08575 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP2 O95551 1/20 0.37
PIM1 P11309 1/20 0.36
HTT P42858 1/20 0.36
PDPK1 O15530 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5579442 1.00 GAA (0.50) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5081584 0.86 GAA (0.54) GAATHRBPOLBMEN1KMT2A
SCHEMBL5579644 0.86 GAA (0.54) GAATHRBPOLBMEN1KMT2A
SCHEMBL5081975 0.86 GAA (0.54) GAATHRBPOLBMEN1KMT2A
SCHEMBL5176190 0.85 GAA (0.66) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL14472939 0.82 POLB (0.52) POLBSMN1; SMN2MEN1KMT2ATTR
SCHEMBL30428203 0.75 GAA (0.55) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL29026155 0.75 GAA (0.55) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL9773785 0.71 POLB (0.50) GAATHRBPOLBSMN1; SMN2MEN1
SCHEMBL5082080 0.70 GAA (0.70) GAATHRBPOLBSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 GAA 1711/4885THRB 1827/4885POLB 1435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.